Results 41 to 50 of about 2,926,121 (366)

The Mechanism of Mori Folium and Eucommiae Cortex against Cyclophosphamide-Induced Immunosuppression Integrating Network Pharmacology, Molecular Docking, Molecular Dynamics Simulations, and Experimental Validation

Metabolites, 2023
It has been reported that Mori Folium (MF) and Eucommiae Cortex (EC) exhibit pharmacological effects in the treatment of immunosuppression. However, the mechanism of MF and EC against immunosuppression remains unclear.
Jinde Liu, Qiao Rong, Chunxiao Zhang, Ali Tariq, Lin Li, Yongning Wu, Feifei Sun   +6 more
doaj   +1 more source

Network Pharmacology and Molecular Docking-Based Mechanism Study to Reveal Antihypertensive Effect of Gedan Jiangya Decoction

BioMed Research International, 2022
Primary hypertension is understood as a disease with diverse etiology, a complicated pathological mechanism, and progressive changes. Gedan Jiangya Decoction (GJD), with the patent publication number CN114246896A, was designed to treat primary ...
Hanxing Liu, S. A. Mohammed, Fang Lu, Pingping Chen, Yu Wang, Shu-min Liu   +5 more
semanticscholar   +1 more source

Exploring Anti-Nonalcoholic Fatty Liver Disease Mechanism of Gardeniae Fructus by Network Pharmacology, Molecular Docking, and Experiment Validation

ACS Omega, 2022
Gardeniae fructus (GF), the fruit from Gardenia jasminoides Ellis, is a traditional Chinese medicine used for the treatment of nonalcoholic fatty liver disease (NAFLD) in the clinic.
Zhongyan Tang, Lin Li, Zhengxiang Xia
semanticscholar   +1 more source

Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing

Journal of Advanced Veterinary and Animal Research, 2021
Objectives: The comprehensive in silico study aims to figure out the most effective aromatic phytochemical ligands among a number from a library, considering their pharmacokinetic efficacies in blocking “angiotensin-converting enzyme 2 (ACE2) receptor ...
Dipta Dey, Parag Kumar Paul, Salauddin Al Azad, Mohammad Faysal Al Mazid, Arman Mahmud Khan, Md. Arman Sharif, Md. Hafijur Rahman   +6 more
semanticscholar   +1 more source

Yuan-Zhi decoction in the treatment of Alzheimer’s disease: An integrated approach based on chemical profiling, network pharmacology, molecular docking and experimental evaluation

Frontiers in Pharmacology, 2022
Yuan-Zhi Decoction (YZD) is a traditional Chinese medical formulation with demonstrated clinical benefits in Alzheimer’s disease (AD). We used liquid chromatography coupled with mass spectrometry to identify 27 unique chemical components of YZD ...
Qiong Wu, Xia Li, Xiaowen Jiang, D. Yao, Li-jun Zhou, Zihua Xu, Nan Wang, Qingchun Zhao, Zhou Zhang   +8 more
semanticscholar   +1 more source

Whey-derived peptides interactions with ACE by molecular docking as a potential predictive tool of natural ACE inhibitors [PDF]

, 2020
Several milk/whey derived peptides possess high in vitro angiotensin I-converting enzyme (ACE) inhibitory activity. However, in some cases, poor correlation between the in vitro ACE inhibitory activity and the in vivo antihypertensive activity has been ...
Chamata, Yara, Jauregi, Paula, Watson, Kimberly A.   +2 more
core   +1 more source

In Silico Analysis of Tetrodotoxin Binding in Voltage-Gated Sodium Ion Channels from Toxin-Resistant Animal Lineages

Marine Drugs, 2022
Multiple animal species have evolved resistance to the neurotoxin tetrodotoxin (TTX) through changes in voltage-gated sodium ion channels (VGSCs). Amino acid substitutions in TTX-resistant lineages appear to be positionally convergent with changes in ...
Shana L. Geffeney, Jennie Ann Cordingley, Kenyon Mitchell, Charles T. Hanifin   +3 more
doaj   +1 more source

In silico comparison of spike protein-ACE2 binding affinities across species; significance for the possible origin of the SARS-CoV-2 virus [PDF]

Scientific Reports. 2021 Jun 24;11(1):13063. PMID: 34168168, 2020
The devastating impact of the COVID-19 pandemic caused by SARS coronavirus 2 (SARS CoV 2) has raised important questions about viral origin, mechanisms of zoonotic transfer to humans, whether companion or commercial animals can act as reservoirs for infection, and why there are large variations in SARS-CoV-2 susceptibilities across animal species ...
arxiv   +1 more source

Based on network pharmacology and molecular docking to explore the protective effect of Epimedii Folium extract on cisplatin-induced intestinal injury in mice

Frontiers in Pharmacology, 2022
Background: Epimedii Folium, as a natural botanical medicine, has been reported to have protective effects on intestinal diseases by modulating multiple signaling pathways.
Juan Xia, Jun-Nan Hu, Zi Wang, E. Cai, Shen Ren, Ying-ping Wang, X. Lei, Wei Li   +7 more
semanticscholar   +1 more source

In silico design of potent agonists for human PPAR γ [PDF]

, 2012
Peroxisome proliferator-activated receptor (PPAR γ) acts as a key regulator on adipocyte differentiation and glucose homeostasis. PPAR γ has been implicated in the pathology of type 2 diabetes.
Amineni Umamaheswari, Divya M, Kanipakam Hema, Navya Pallapotu   +3 more
core   +2 more sources